florosenine
AlkaPlorer ID: AK011404
Synonym: 'Florosenine', 'O-acetylotosenine', '12-Epipetasitenine acetate', 'O-Acetyl-12-epifukinotoxin', 'Otosenine 12-acetate', 'Acetylfukinotoxin', 'acetylotosenine', 'Ligularizine'
IUPAC Name: [(1R,3'R,4R,6R,7S,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate
Structure
SMILES: CC(=O)O[C@]1(C)C(=O)OC/C2=C/CN(C)CC[C@@H](OC(=O)[C@]3(C[C@H]1C)O[C@@H]3C)C2=O
InChI: InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20+,21-/m1/s1
InChIKey: RNNVXCSFOWGBQP-PIDPJBNOSA-N
Reference
Studies on constituents of crude drugs. XV. New pyrrolizidine alkaloids from Ligularia dentata.
PubChem CID: 20839444
LOTUS: LTS0198971
SuperNatural Ⅲ: SN0330237-01
NPASS: NPC216832
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia dentata | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.4620000000002
TPSA？: 111.74
MolLogP？: 0.7915000000000003
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|